122325

Source:http://linkedlifedata.com/resource/chembl/compound/122325

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C17H17N3O6/c1-17(2,15(21)22)26-14-9-5-12(6-10-14)19-16(23)18-11-3-7-13(8-4-11)20(24)25/h3-10H,1-2H3,(H,21,22)(H2,18,19,23)
chemicalCompound:standardIn...	KXFLCVDKEJVSAB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(Oc1ccc(NC(=O)Nc2ccc(cc2)[N+](=O)[O-])cc1)C(=O)O
chemicalCompound:molecularF...	C17 H17 N3 O6
chemicalCompound:moleculeId	122325
chemicalCompound:mwFreebase	359.333
chemicalCompound:alogp	2.678
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	133.47
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.303
chemicalCompound:acdLogP	1.971
chemicalCompound:acdLogD	-1.607
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	359.333
chemicalCompound:acdMostBpk...	0.587
chemicalCompound:chemblId	CHEMBL77604
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:222325
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:567142, activity:567143, activity:567144, activity:567145, activity:567146, activity:567147, activity:567148, activity:567149